Geometry & MOs

Info

ID:	313186
PubChem CID:	126612421
Reduced:	OF3N4H27C28 (1)
Stoich.:	AB3C4D27E28 (1)
Weight, g/mol:	424.091388
ΔH_f, kcal/mol:	-116.78
Dipole, Da:	7.4
IP(EA), eV:	-9.2(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-(4-chlorophenoxy)-2-(trifluoromethyl)pyridin-3-yl]-1-cyclopropyl-2-(1,2,4-triazol-1-yl)ethanol

Drug info:

PubChemData

Smile

CC1CC[C@@H]([C@H](C1)C2=CC=CC=C2C(F)(F)F)NC(=O)C3=CC4=C(C=C3)NN=C4C5=CC(=NC=C5)C

DOS

IR

Vibrations